Results for “Challenges” — Page 3

DOE OSTI2024

Large Language Models for the Creation and Use of Semantic Ontologies in Buildings: Requirements and Challenges

Semantic ontologies offer a formalized, machine-readable framework for representing knowledge, enabling the structured description of complex systems. In the building domain, the adoption of ontologies like the Brick schema has transformed how buildings and their systems are modeled by providing a standardized, interoperable language. However, the complexity and the steep learning curve involved in developing and querying semantic models present substantial challenges, often requiring a workforce with specialized expertise. This paper builds on our experience in investigating how Large Language Models (LLMs) can help address these challenges, focusing on their role in constructing and querying of semantic models, particularly using the Brick Schema. Our study outlines the requirements and metrics for evaluating the scalability and effectiveness of LLM-based tools, while also discussing the current challenges and limitations in developing such tools. Ultimately, this paper aims to orient research efforts as various groups experiment with diverse techniques, while enabling more effective comparison of emerging solutions and fostering collaboration across the field.

Mulayim, Ozan Baris↗

DOE OSTI2024

Exascale Computing and Data Handling: Challenges and Opportunities for Weather and Climate Prediction

The emergence of exascale computing and artificial intelligence offer tremendous potential to significantly advance Earth system prediction capabilities. However, enormous challenges must be overcome to adapt models and prediction systems to use these new technologies effectively. A 2022 WMO report on exascale computing recommends “urgency in dedicating efforts and attention to disruptions associated with evolving computing technologies that will be increasingly difficult to overcome, threatening continued advancements in weather and climate prediction capabilities.” Further, the explosive growth in data from observations, model and ensemble output, and postprocessing threatens to overwhelm the ability to deliver timely, accurate, and precise information needed for decision-making. Artificial intelligence (AI) offers untapped opportunities to alter how models are developed, observations are processed, and predictions are analyzed and extracted for decision-making. Given the extraordinarily high cost of computing, growing complexity of prediction systems, and increasingly unmanageable amount of data being produced and consumed, these challenges are rapidly becoming too large for any single institution or country to handle. This paper describes key technical and budgetary challenges, identifies gaps and ways to address them, and makes a number of recommendations.

Atmosphere↗

DOE OSTI2024

Tank Waste Characterization: History, Challenges, and Success Stories

The preparation and chemical and radiochemical analysis of Hanford tank waste samples can be performed with standard laboratory equipment and instruments as relatively routine processes that are not particularly challenging. Rather, the main challenges of tank waste characterization are associated with radiological dose and sampling limitations. Accurate, representative and effective sampling techniques are difficult with the waste tanks because they were not designed for routine sampling. There are a finite number of sampling locations for each tank based on riser positioning, depth and the operational functionality of the sampling riser. For example, in one recently emptied SST, there was one riser that was found to have had concrete dumped down it, thereby eliminating that sampling port. Additionally, the waste within the tank; especially true for the saltcake and sludge, is not homogenous. The ability to adequately mix a million-gallon double shell tank (DST) is a concern for data reproducibility. Another real challenge that must be addressed for sampling single shell tanks, is how to dissolve the salt cake waste in a compromised (leaking) SST. These physical constraints mean that uncertainty in the representativeness of samples must be considered when applying analytical results to the bulk contents of the tank. The tank waste is highly radioactive and thus can only be handled initially by facilities that can receive samples into concrete-shielded hot cells with remote operation with an example provided in Figure 1. The shielding protects the worker from the radiological dose while mineral oil windows and remotely operated manipulators enables the samples to be handled. At Hanford, analytical laboratories with these hot cell capabilities are limited to the Pacific Northwest National Laboratory and the main Hanford operations support laboratory, 222-S Laboratory. Because of their highly radioactive nature, samples must be sufficiently diluted to facilitate their analysis outside of a shielded cell. In some cases, this means some accuracy must be compromised to complete the analysis beyond that normally encountered for non-radioactive material.

Waste Characterization, BBI, PHOENIX: Tank Farms: ↗

DOE OSTI2025

2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge Study

# 2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge Study The 2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge (CIVIC) Study provided insight into the travel patterns and associated energy consumption of participants. Study results helped researchers identify opportunities for the development of shared mobility strategies—such as collaborative ride-sharing programs—that could address the mobility needs of rural communities in Puerto Rico. The Civic Innovation Challenge is a multiagency, federal government research and action competition that funds ready-to-implement, research-based pilot projects that have the potential for scalable, sustainable, and transferable impact on community-identified priorities. ## Data Collection Agency The University of Puerto Rico at Mayagüez conducted the study. ## Survey Methodology The study was conducted in Spanish. Data collection was enabled via the open-source [NREL OpenPATH platform](https://www.nrel.gov/transportation/openpath). The resulting dataset consists of partially automated travel diaries—combining sensed and surveyed data reflecting patterns of multimodal, end-to-end, individual human mobility—as well as demographic and socioeconomic information from the 31 participants. ## Survey Records, Data, and Documentation Survey records include 31 participants. The total number of trips was 1,373 and the total non-air-miles traveled was approximately 8,260.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge Study

# 2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge Study The 2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge (CIVIC) Study provided insight into the travel patterns and associated energy consumption of participants. Study results helped researchers identify opportunities for the development of shared mobility strategies—such as collaborative ride-sharing programs—that could address the mobility needs of rural communities in Puerto Rico. The Civic Innovation Challenge is a multiagency, federal government research and action competition that funds ready-to-implement, research-based pilot projects that have the potential for scalable, sustainable, and transferable impact on community-identified priorities. ## Data Collection Agency The University of Puerto Rico at Mayagüez conducted the study. ## Survey Methodology The study was conducted in Spanish. Data collection was enabled via the open-source [NREL OpenPATH platform](https://www.nrel.gov/transportation/openpath). The resulting dataset consists of partially automated travel diaries—combining sensed and surveyed data reflecting patterns of multimodal, end-to-end, individual human mobility—as well as demographic and socioeconomic information from the 31 participants. ## Survey Records, Data, and Documentation Survey records include 31 participants. The total number of trips was 1,373 and the total non-air-miles traveled was approximately 8,260.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge Study

# 2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge Study The 2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge (CIVIC) Study provided insight into the travel patterns and associated energy consumption of participants. Study results helped researchers identify opportunities for the development of shared mobility strategies—such as collaborative ride-sharing programs—that could address the mobility needs of rural communities in Puerto Rico. The Civic Innovation Challenge is a multiagency, federal government research and action competition that funds ready-to-implement, research-based pilot projects that have the potential for scalable, sustainable, and transferable impact on community-identified priorities. ## Data Collection Agency The University of Puerto Rico at Mayagüez conducted the study. ## Survey Methodology The study was conducted in Spanish. Data collection was enabled via the open-source [NREL OpenPATH platform](https://www.nrel.gov/transportation/openpath). The resulting dataset consists of partially automated travel diaries—combining sensed and surveyed data reflecting patterns of multimodal, end-to-end, individual human mobility—as well as demographic and socioeconomic information from the 31 participants. ## Survey Records, Data, and Documentation Survey records include 31 participants. The total number of trips was 1,373 and the total non-air-miles traveled was approximately 8,260.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge Study

# 2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge Study The 2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge (CIVIC) Study provided insight into the travel patterns and associated energy consumption of participants. Study results helped researchers identify opportunities for the development of shared mobility strategies—such as collaborative ride-sharing programs—that could address the mobility needs of rural communities in Puerto Rico. The Civic Innovation Challenge is a multiagency, federal government research and action competition that funds ready-to-implement, research-based pilot projects that have the potential for scalable, sustainable, and transferable impact on community-identified priorities. ## Data Collection Agency The University of Puerto Rico at Mayagüez conducted the study. ## Survey Methodology The study was conducted in Spanish. Data collection was enabled via the open-source [NREL OpenPATH platform](https://www.nrel.gov/transportation/openpath). The resulting dataset consists of partially automated travel diaries—combining sensed and surveyed data reflecting patterns of multimodal, end-to-end, individual human mobility—as well as demographic and socioeconomic information from the 31 participants. ## Survey Records, Data, and Documentation Survey records include 31 participants. The total number of trips was 1,373 and the total non-air-miles traveled was approximately 8,260.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge Study

# 2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge Study The 2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge (CIVIC) Study provided insight into the travel patterns and associated energy consumption of participants. Study results helped researchers identify opportunities for the development of shared mobility strategies—such as collaborative ride-sharing programs—that could address the mobility needs of rural communities in Puerto Rico. The Civic Innovation Challenge is a multiagency, federal government research and action competition that funds ready-to-implement, research-based pilot projects that have the potential for scalable, sustainable, and transferable impact on community-identified priorities. ## Data Collection Agency The University of Puerto Rico at Mayagüez conducted the study. ## Survey Methodology The study was conducted in Spanish. Data collection was enabled via the open-source [NREL OpenPATH platform](https://www.nrel.gov/transportation/openpath). The resulting dataset consists of partially automated travel diaries—combining sensed and surveyed data reflecting patterns of multimodal, end-to-end, individual human mobility—as well as demographic and socioeconomic information from the 31 participants. ## Survey Records, Data, and Documentation Survey records include 31 participants. The total number of trips was 1,373 and the total non-air-miles traveled was approximately 8,260.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge Study

# 2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge Study The 2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge (CIVIC) Study provided insight into the travel patterns and associated energy consumption of participants. Study results helped researchers identify opportunities for the development of shared mobility strategies—such as collaborative ride-sharing programs—that could address the mobility needs of rural communities in Puerto Rico. The Civic Innovation Challenge is a multiagency, federal government research and action competition that funds ready-to-implement, research-based pilot projects that have the potential for scalable, sustainable, and transferable impact on community-identified priorities. ## Data Collection Agency The University of Puerto Rico at Mayagüez conducted the study. ## Survey Methodology The study was conducted in Spanish. Data collection was enabled via the open-source [NREL OpenPATH platform](https://www.nrel.gov/transportation/openpath). The resulting dataset consists of partially automated travel diaries—combining sensed and surveyed data reflecting patterns of multimodal, end-to-end, individual human mobility—as well as demographic and socioeconomic information from the 31 participants. ## Survey Records, Data, and Documentation Survey records include 31 participants. The total number of trips was 1,373 and the total non-air-miles traveled was approximately 8,260.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge Study

# 2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge Study The 2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge (CIVIC) Study provided insight into the travel patterns and associated energy consumption of participants. Study results helped researchers identify opportunities for the development of shared mobility strategies—such as collaborative ride-sharing programs—that could address the mobility needs of rural communities in Puerto Rico. The Civic Innovation Challenge is a multiagency, federal government research and action competition that funds ready-to-implement, research-based pilot projects that have the potential for scalable, sustainable, and transferable impact on community-identified priorities. ## Data Collection Agency The University of Puerto Rico at Mayagüez conducted the study. ## Survey Methodology The study was conducted in Spanish. Data collection was enabled via the open-source [NREL OpenPATH platform](https://www.nrel.gov/transportation/openpath). The resulting dataset consists of partially automated travel diaries—combining sensed and surveyed data reflecting patterns of multimodal, end-to-end, individual human mobility—as well as demographic and socioeconomic information from the 31 participants. ## Survey Records, Data, and Documentation Survey records include 31 participants. The total number of trips was 1,373 and the total non-air-miles traveled was approximately 8,260.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge Study

# 2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge Study The 2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge (CIVIC) Study provided insight into the travel patterns and associated energy consumption of participants. Study results helped researchers identify opportunities for the development of shared mobility strategies—such as collaborative ride-sharing programs—that could address the mobility needs of rural communities in Puerto Rico. The Civic Innovation Challenge is a multiagency, federal government research and action competition that funds ready-to-implement, research-based pilot projects that have the potential for scalable, sustainable, and transferable impact on community-identified priorities. ## Data Collection Agency The University of Puerto Rico at Mayagüez conducted the study. ## Survey Methodology The study was conducted in Spanish. Data collection was enabled via the open-source [NREL OpenPATH platform](https://www.nrel.gov/transportation/openpath). The resulting dataset consists of partially automated travel diaries—combining sensed and surveyed data reflecting patterns of multimodal, end-to-end, individual human mobility—as well as demographic and socioeconomic information from the 31 participants. ## Survey Records, Data, and Documentation Survey records include 31 participants. The total number of trips was 1,373 and the total non-air-miles traveled was approximately 8,260.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge Study

# 2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge Study The 2024 University of Puerto Rico at Mayagüez Civic Innovation Challenge (CIVIC) Study provided insight into the travel patterns and associated energy consumption of participants. Study results helped researchers identify opportunities for the development of shared mobility strategies—such as collaborative ride-sharing programs—that could address the mobility needs of rural communities in Puerto Rico. The Civic Innovation Challenge is a multiagency, federal government research and action competition that funds ready-to-implement, research-based pilot projects that have the potential for scalable, sustainable, and transferable impact on community-identified priorities. ## Data Collection Agency The University of Puerto Rico at Mayagüez conducted the study. ## Survey Methodology The study was conducted in Spanish. Data collection was enabled via the open-source [NREL OpenPATH platform](https://www.nrel.gov/transportation/openpath). The resulting dataset consists of partially automated travel diaries—combining sensed and surveyed data reflecting patterns of multimodal, end-to-end, individual human mobility—as well as demographic and socioeconomic information from the 31 participants. ## Survey Records, Data, and Documentation Survey records include 31 participants. The total number of trips was 1,373 and the total non-air-miles traveled was approximately 8,260.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

Polymer Additive Manufacturing for Marine Renewable Energy Applications: Best Practices, Research Trends, and Current Challenges

Additive manufacturing (AM) is a rapidly growing technology space, not only for prototyping, but is also becoming more feasible at larger scales and increasing component quantities. There are a large variety of AM processes and materials available to users and effectively applying those processes and materials to a specific use case can be challenging. One specific area where AM could be particularly beneficial is marine renewable energy (MRE). Not only is MRE a relatively nascent industry with a near-term need for rapid deployments and prototype testing, but developers could also see long-term benefits from the broad variety of environmentally resistant materials available and the ability to manufacture complex geometries that AM technologies offer. Over the past 4 years, AM materials have played an increasing role in the Advanced Materials project; a multi-year, multi-laboratory research project funded by the U.S. Department of Energy's Water Power Technologies Office, with the main goal of reducing barriers to the adoption of complex materials in the MRE industry. The primary focus of this project is to develop test methods and generate datasets to understand the long-term performance of advanced materials in marine environmental and address specific material challenges as they arise. This report provides an extensive overview of the research that has been performed specific to AM polymers as part of the Advanced Materials project. The intention of this document is to provide recommendations of best practices with regards to material selection, mechanical test method development, and design practices, lessons learned along the way, current research trends, and ongoing challenges with regards to AM polymers in marine environments. In particular, this report focuses on several key aspects: Material and process selection, Environmental conditioning and subsequent degradation quantification through mechanical characterization, Composite reinforcements on AM polymer substrates, Adhesion of instrumentation for mechanical characterization and loads measurements, Protective coatings for preventing biofouling and water ingress, Other MRE case studies where AM has proved particularly useful. Ultimately, we hope that the test methods that have been developed, data generated, and lessons learned from this research will be valuable to the MRE community (researchers and developers alike), as well as other industries, and can be used as a reference point as the respective MRE and AM industries continue to grow and mature.

16 TIDAL AND WAVE POWER↗

DOE OSTI2024

Workflows Community Summit 2024: Future Trends and Challenges in Scientific Workflows

The 2024 Workflows Community Summit report presents the outcomes of a three-day international gathering that brought together 109 experts from 18 countries to discuss future trends and challenges in scientific workflows. The summit focused on six key areas: time-sensitive workflows, convergence of AI and HPC workflows, multi-facility workflows, heterogeneous HPC environments, user experience and interfaces, and FAIR computational workflows. Discussions highlighted emerging challenges such as integrating AI with traditional HPC, managing workflows across diverse facilities, addressing heterogeneity in computing environments, and ensuring workflows are findable, accessible, interoperable, and reusable (FAIR). The report outlines recent advances, ongoing challenges, and provides recommendations for each topic area, emphasizing the need for standardization, improved interoperability, and the development of more sophisticated tools and frameworks to support the evolving landscape of scientific workflows in the era of exascale computing and AI integration.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Optimizing Carbon Capture, Transport, and Storage: Overcoming Challenges with Machine Learning and Cost-Benefit Analysis

Carbon Capture, Utilization, and Storage (CCUS) is a critical strategy for reducing CO₂ emissions and mitigating climate change. However, its widespread deployment faces numerous challenges across the capture, transport, and storage phases. These challenges include the technical complexity of predicting subsurface behaviors during CO₂ injection, ensuring long-term storage integrity, optimizing transportation networks, and balancing the economic and environmental trade-offs. Addressing these issues requires an integrated approach combining advanced subsurface modeling with system-level analyses to assess costs, risks, and benefits. This presentation provides an overview of studies conducted by the National Energy Technology Laboratory (NETL) to tackle these challenges. NETL’s efforts encompass cutting-edge research in subsurface fluid behavior machine learning predictions, alongside the development of innovative tools for system optimization and economic evaluation. By bridging technical expertise and strategic analysis, NETL aims to advance the deployment of CCUS technologies to support global decarbonization efforts. Presented at the Carnegie Mellon University CEE IESS Student Seminar October 4, 2024.

Shih, Chung Yan↗

DOE OSTI2025

Performance Results from DOE Cold Climate Heat Pump Challenge Field Validation

Space conditioning and water heating consume over 40% of the nation’s primary energy use and represent a significant component of many homeowners’ monthly energy bill. However, in cold climates, performance of heat pumps has traditionally suffered as the units have been unable to efficiently transfer heat from colder outdoor air temperatures to warm the interior space of homes. Optimizing heat pumps for cold climates (5 °F and below) requires coordinated effort to ensure heat pump technologies can be enjoyed by Americans living in these regions. The DOE Cold Climate Heat Pump (CCHP) Challenge sought to address this challenge by partnering with industry to develop, test, and validate the performance of new, highly efficient heat pumps in real homes. The Challenge, launched in 2021, brought together leading heating, ventilation, and air conditioning (HVAC) manufacturers to develop prototype units optimized for performance at cold climates. This report summarizes results from the field validation that occurred 2022-2024.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

A Review on Protection Challenges on Transmission Lines Connected to Inverter Based Resources

The increased penetration of inverter-based resources (IBRs) connected to transmission grids is challenging how traditional electric power systems operate. Such systems were originally designed based on the dominant presence of synchronous generators. Some main challenges include the increased concerns about system stability due to the reduced system inertia caused by IBRs and the reduced protection reliability caused by the non-deterministic fault current response of IBRs. The protection relays’ algorithms have been designed and validated based on well-known fault current characteristics of synchronous generations, while the short-circuit responses of IBRs heavily depend on their vendor-specific control schemes, which are mainly set to protect inverter semiconductor switches and DC components. The magnitude of short current that IBRs contribute is typically between 1.1–1.5 times the rated current that may behave unstably and incoherently with the voltages. The control scheme of the IBRs also controls the active (P) and reactive (Q) support during system voltage sag and swell conditions. These characteristics challenge not only protective relay schemes but also existing short-circuit software tools to correctly model IBRs for fault studies and protection coordination analyses. Utilities, university researchers, research institutes, and relay manufacturers have performed studies to investigate different aspects of high IBR penetration. Almost all studies support 1) creating international and national standards to regulate the IBRs, 2) revising engineering tools to address shortcomings, and 3) adjusting the protective relay settings to resolve protection problems. This paper summarizes the studies and research conducted in recent years to quantify the impact of IBR penetration on transmission line protection and to identify potential solutions to improve the dependability and reliability of grid protection systems.

14 SOLAR ENERGY↗

DOE OSTI2024

Neutrons in Structural Biology: Challenges and Opportunities (Workshop Report)

Gaining a thorough understanding of biological systems requires building our knowledge about biological processes from the level of atoms and electrons, and up to whole organisms. Such comprehensive knowledge will allow for a predictive understanding of complex biological systems behavior. It will guide us in the design and development of novel therapeutics and vaccines to tackle existing health threats and to prepare for future pandemics, and it will provide information necessary to create new biomaterials and bio-inspired technologies through manipulation of biological macromolecules, their assemblies, single cells and even microorganisms. Reaching these goals will require a synergistic combination of multiple experimental techniques with molecular calculations and predictive simulations, and the design and development of new techniques and capabilities that bridge current knowledge and technology gaps. Neutron scattering provides unique information about the biomacromolecular structure and function and can play a major role in achieving these goals. A workshop was held to engage the scientific community in identifying pressing challenges in biochemistry, structural biology, enzymology and structure-guided drug design not solved with the current neutron scattering technologies or utilizing other structural biology techniques such as X-ray crystallography, NMR, and cryo-EM. The workshop brought together structural biology, biochemistry and computational experts, as well as early career researchers and students, creating a forum for discussing scientific advancement and collaboration. The workshop included a one-day satellite training workshop where graduate students and postdoctoral researchers were educated in the application of neutron crystallography and small-angle scattering in structural biology. Furthermore, the Instrument Scientific Advisory Board (ISAB) for the development of a macromolecular neutron diffractometer at ORNL’s Second Target Station was introduced at the workshop. The major outcome was that neutrons can provide atomic-level understanding of biomacromolecular structure, function and dynamics which is of paramount importance for addressing the identified challenges. Neutron crystallography, in particular, can resolve long-standing biochemical issues regarding enzyme function by delineating the underlying chemistry and can have a major impact on the design of small-molecule therapeutics, especially in combination with molecular computation (quantum chemistry and molecular dynamics simulations) and the emerging artificial intelligence (AI)-assisted drug design technologies. The unique properties of neutrons, including their high sensitivity to hydrogen and their non-destructive nature, make them ideal probes of biological matter. There is a palpable need in the scientific community to expand and enhance the impact of neutron sciences on biology. Neutron crystallography is the only structural biology method capable of determining positions of all hydrogen atoms in proteins, nucleic acids and their complexes at near-physiological temperatures and of unstable species at cryogenic temperatures. Moreover, neutron analysis is non-ionizing, non-destructive and does not perturb the structure or redox chemistry of active site metal centers and clusters in proteins, which can be invaluable for studying radiation-sensitive metalloprotein complexes. Further, neutron energies used in scattering applications are similar to atomic motions, permitting neutron spectroscopies to characterize the dynamics of biomacromolecules on the picosecond to microsecond timescales. The different sensitivities of neutrons to protium (H) and deuterium (D) isotopes of hydrogen allow enhanced visibility of specific parts of biological complexes through isotopic labeling. The impact of neutrons will be most powerful when neutron scattering is combined with complementary experimental techniques that use photons and electrons, and with high-performance computing. The interconnection and mutuality of the experimental and theoretical capabilities will drive discoveries in biological and health sciences to generate more complete picture of complex biological systems. The major limitation in the field of biological neutron crystallography has been signal-to-noise, demanding large samples that are difficult to produce for the majority of biomacromolecules and limiting the applicability of this technique in biological sciences. A neutron crystallography instrument at the Second Target Station will revolutionize biological science with neutrons by engaging a large scientific community of structural biologists, enabling successful neutron diffraction experiments from radically smaller biomacromolecular crystals, resolving unanswered biochemical questions, and meaningfully contributing to rational drug design. The meeting highlighted 10 grand challenges that will be addressed with this advanced capability over the next decade and beyond, and the recommendations required to help address them are given below.

59 BASIC BIOLOGICAL SCIENCES↗